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Compound Detail

CHEMBL439875

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CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439875
Phase Preclinical
Structure Type MOL
InChI Key ZXKIIRRLONVSIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

543.6
MW (Da)
6.35
ALogP
4
HBA
1
HBD
78.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31F2N5O2
MW 543.62
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
17303416 10.1016/j.bmcl.2007.01.094 Dual specificity protein phosphatase 22 1

Data from ChEMBL 36 via Core Engine